Compile Data Set for Download or QSAR

Found 2 hits of kd data for polymerid = 50006204   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Albumin (Mus musculus)	BDBM50399329 (CHEMBL2180871) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)N[C@@H](CCCCN)C(=O)NCCCCN=[N+]=[N-])C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CSSC[C@H](NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r,wU:16.23,4.4,53.52,62.62,69.68,107.113,82.82,74.125,125.128,133.136,156.161,wD:8.12,2.2,44.43,61.60,114.117,96.98,147.152,164.169,25.24,(24.08,-16.61,;23.75,-18.12,;24.91,-19.14,;26.37,-18.67,;24.58,-20.65,;23.12,-21.12,;21.98,-20.09,;22.29,-18.58,;20.51,-20.57,;20.19,-22.07,;21.33,-23.1,;21.01,-24.61,;22.8,-22.63,;19.37,-19.53,;17.9,-20.01,;17.59,-21.51,;16.76,-18.98,;17.08,-17.48,;18.54,-16.99,;18.87,-15.49,;20.33,-15.02,;20.65,-13.52,;19.5,-12.48,;22.12,-13.04,;15.29,-19.46,;14.15,-18.43,;14.47,-16.92,;15.92,-16.44,;16.24,-14.94,;15.1,-13.91,;15.41,-12.41,;12.69,-18.9,;12.37,-20.41,;11.54,-17.88,;10.08,-18.36,;8.93,-17.33,;7.47,-17.81,;6.32,-16.79,;4.86,-17.26,;3.77,-16.17,;2.68,-15.08,;25.72,-21.68,;25.4,-23.18,;27.19,-21.2,;28.33,-22.23,;28.01,-23.73,;29.16,-24.77,;28.84,-26.27,;27.37,-26.74,;29.98,-27.31,;29.8,-21.75,;30.12,-20.25,;30.93,-22.79,;32.4,-22.31,;32.72,-20.81,;34.19,-20.34,;35.33,-21.36,;34.51,-18.83,;33.55,-23.34,;33.22,-24.84,;35.01,-22.87,;36.15,-23.9,;35.83,-25.41,;36.98,-26.43,;34.37,-25.88,;34.05,-27.38,;37.61,-23.42,;37.94,-21.92,;38.76,-24.45,;40.22,-23.98,;40.55,-22.47,;39.4,-21.44,;41.24,-11.03,;42.57,-11.81,;43.91,-11.04,;45.25,-11.83,;45.23,-13.36,;43.89,-14.12,;46.56,-14.14,;46.55,-15.67,;47.88,-16.46,;49.22,-15.69,;47.87,-18,;46.44,-18.56,;45.23,-17.6,;45.29,-16.07,;43.86,-15.53,;42.9,-16.73,;41.36,-16.83,;40.66,-18.2,;41.52,-19.49,;43.06,-19.39,;43.75,-18.01,;49.07,-18.95,;48.85,-20.47,;47.42,-21.04,;50.06,-21.43,;51.48,-20.87,;51.71,-19.34,;53.14,-18.78,;53.37,-17.26,;54.8,-16.7,;56,-17.65,;55.03,-15.17,;49.82,-22.96,;48.5,-23.73,;48.5,-25.26,;47.17,-22.96,;47.01,-21.42,;45.5,-21.11,;44.74,-22.44,;45.76,-23.58,;45.45,-25.09,;46.59,-26.12,;43.98,-25.57,;43.66,-27.06,;44.8,-28.1,;44.48,-29.6,;46.26,-27.63,;42.83,-24.53,;41.36,-25.01,;41.05,-26.51,;43.92,-9.5,;45.26,-8.74,;42.59,-8.73,;42.61,-7.19,;41.28,-6.41,;39.93,-7.17,;38.61,-6.4,;39.93,-8.72,;43.94,-6.42,;43.95,-4.89,;45.27,-7.21,;46.61,-6.44,;46.62,-4.9,;47.95,-4.15,;49.35,-4.77,;50.39,-3.64,;49.63,-2.3,;50.12,-.85,;49.09,.31,;47.58,-.02,;47.09,-1.46,;48.12,-2.62,;47.93,-7.22,;47.93,-8.76,;49.27,-6.45,;50.6,-7.24,;50.59,-8.78,;51.91,-9.55,;51.91,-11.09,;53.24,-11.87,;50.57,-11.86,;51.94,-6.47,;51.94,-4.93,;53.27,-7.26,;54.6,-6.49,;54.61,-4.95,;55.95,-4.19,;57.28,-4.97,;55.96,-2.66,;55.93,-7.27,;55.92,-8.81,;57.27,-6.5,;58.6,-7.28,;58.59,-8.83,;59.91,-9.59,;59.91,-11.14,;61.25,-8.84,;59.93,-6.52,;61.26,-7.3,;59.94,-4.98,)| Show InChI InChI=1S/C109H167N31O30S2/c1-11-58(9)88(137-99(161)72(43-56(5)6)128-92(154)67(29-21-38-117-108(111)112)123-66(28-17-18-36-110)90(152)116-37-19-20-40-122-139-115)104(166)127-70(33-35-84(144)145)95(157)133-76(48-86(148)149)100(162)138-89(59(10)12-2)105(167)136-80-54-172-171-53-79(124-82(141)52-121-91(153)73(45-60-50-119-64-26-15-13-24-62(60)64)130-93(155)68(30-22-39-118-109(113)114)126-103(165)81-31-23-41-140(81)106(168)77(44-57(7)8)134-102(80)164)101(163)129-71(42-55(3)4)96(158)131-74(46-61-51-120-65-27-16-14-25-63(61)65)97(159)125-69(32-34-83(142)143)94(156)132-75(47-85(146)147)98(160)135-78(107(169)170)49-87(150)151/h13-16,24-27,50-51,55-59,66-81,88-89,119-120,123H,11-12,17-23,28-49,52-54,110H2,1-10H3,(H,116,152)(H,121,153)(H,124,141)(H,125,159)(H,126,165)(H,127,166)(H,128,154)(H,129,163)(H,130,155)(H,131,158)(H,132,156)(H,133,157)(H,134,164)(H,135,160)(H,136,167)(H,137,161)(H,138,162)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,169,170)(H4,111,112,117)(H4,113,114,118)/t58-,59-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,88-,89-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Binding affinity to mouse serum albumin by fluorescence polarization assay				J Med Chem 55: 10187-97 (2012) Article DOI: 10.1021/jm301276e BindingDB Entry DOI: 10.7270/Q25140CZ
					More data for this Ligand-Target Pair
Albumin (Mus musculus)	BDBM50598266 (CHEMBL5203652) Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)COCCOCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CSCC(=O)CSC[C@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)NCC(N)=O |r,wU:103.108,22.21,35.35,164.169,206.214,191.197,182.188,171.177,165.172,wD:138.143,115.121,47.48,26.26,94.99,146.152,155.160,(-10,15.01,;-10,13.47,;-8.67,12.71,;-8.67,11.17,;-7.34,10.39,;-7.34,8.85,;-6,8.09,;-6,6.54,;-4.67,5.77,;-4.67,4.23,;-3.33,3.46,;-3.33,1.92,;-2,1.15,;-2,-.38,;-.67,-1.15,;-.67,-2.69,;-2,-3.46,;.67,-3.46,;.67,-5,;2,-5.77,;2,-7.31,;3.33,-8.09,;3.33,-9.63,;2,-10.39,;.67,-9.63,;.67,-8.09,;-.67,-10.39,;-.67,-11.93,;.67,-12.71,;.67,-14.25,;2,-15.01,;-.67,-15.01,;-2,-9.63,;-3.33,-10.39,;-3.33,-11.93,;-4.67,-9.63,;-4.67,-8.09,;-6,-7.31,;-7.34,-8.08,;-8.66,-7.31,;-8.66,-5.77,;-10,-5.01,;-7.34,-5.01,;-6,-5.77,;-6,-10.39,;-7.34,-9.63,;-6.57,-8.29,;-8.67,-10.39,;-8.67,-11.93,;-7.34,-12.71,;-7.34,-14.25,;-6,-15.01,;-8.67,-15.01,;-10,-9.63,;-11.34,-10.39,;-11.34,-11.93,;-12.67,-9.63,;-14,-10.39,;-15.34,-9.63,;-16.67,-10.39,;-18.01,-9.63,;-19.34,-10.39,;-20.67,-9.63,;-22.01,-10.39,;-23.34,-9.63,;-24.68,-10.39,;-23.34,-8.09,;-24.67,-7.31,;-24.67,-5.78,;-23.34,-5.01,;-22.01,-5.77,;-22.01,-7.31,;-20.52,-5.37,;-19.43,-6.46,;-20.12,-3.89,;-23.34,-3.47,;-24.67,-2.7,;-26,-3.47,;-27.34,-2.69,;-27.34,-1.16,;-28.67,-.39,;-26.01,-.39,;-24.67,-1.16,;-23.34,-.39,;-22.01,-1.16,;-20.67,-.39,;-19.34,-1.16,;-18.01,-.39,;-19.34,-2.69,;-20.67,-3.47,;-22.01,-2.7,;4.67,-10.39,;4.67,-11.93,;6,-9.63,;7.33,-10.39,;7.33,-11.93,;8.67,-12.71,;8.67,-14.25,;10,-15.01,;7.33,-15.01,;8.67,-9.63,;8.67,-8.09,;10,-10.39,;11.34,-9.63,;11.34,-8.09,;12.67,-7.31,;12.67,-5.77,;14,-5.01,;15.33,-5.78,;16.67,-5.01,;15.33,-7.31,;14.01,-8.09,;12.67,-10.39,;12.67,-11.93,;14,-9.63,;15.34,-10.39,;15.34,-11.93,;16.67,-12.71,;16.67,-14.25,;15.34,-15.01,;18,-15.01,;16.67,-9.63,;18,-10.39,;16.67,-8.09,;18,-7.31,;19.34,-8.09,;20.67,-7.31,;22.01,-8.09,;23.34,-7.31,;24.67,-8.09,;26.01,-7.31,;26.01,-5.77,;27.34,-5,;24.67,-5,;24.67,-3.46,;23.34,-2.69,;23.34,-1.15,;22.01,-.38,;22.01,1.15,;20.67,1.92,;19.34,1.15,;19.34,-.38,;18,1.92,;16.67,1.15,;15.34,1.92,;15.34,3.46,;14,1.15,;14,-.38,;12.67,-1.15,;12.67,-2.69,;11.34,-3.46,;11.34,-5,;10,-2.69,;10,-1.15,;8.67,-.38,;7.33,-1.15,;7.33,-2.69,;6,-3.46,;4.67,-2.69,;6,-5,;4.67,-5.77,;6,-.38,;4.67,-1.15,;6,1.15,;4.67,1.92,;3.33,1.15,;3.33,-.38,;2,1.92,;4.67,3.46,;3.33,4.23,;6,4.23,;6,5.77,;4.67,6.54,;4.67,8.09,;3.33,8.85,;3.33,10.39,;2,11.17,;2,12.71,;.67,10.39,;7.33,6.54,;8.67,5.77,;7.33,8.09,;8.67,8.85,;8.67,10.39,;10,11.17,;10,12.71,;8.67,13.47,;11.34,13.47,;10,8.09,;10,6.54,;11.34,8.85,;12.67,8.09,;14,8.85,;14,10.39,;12.67,11.17,;12.67,12.7,;14.01,13.47,;14.01,15.01,;15.33,12.71,;15.33,11.17,;12.67,6.54,;11.34,5.77,;14,5.77,;15.41,6.4,;16.44,5.26,;15.67,3.92,;14.16,4.24,;12.78,3.42,;11.46,4.21,;12.78,1.88,;23.34,1.92,;23.34,3.46,;24.67,1.15,;26.01,1.92,;27.34,1.15,;28.67,1.92,;27.34,-.38,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00306 BindingDB Entry DOI: 10.7270/Q2M049H5
					More data for this Ligand-Target Pair